[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol

C16H15ClOS — CID 114865485

IUPAC[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol
SMILESOCc1cc(Cl)ccc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C16H15ClOS/c17-14-5-7-16(13(8-14)10-18)19-15-6-4-11-2-1-3-12(11)9-15/h4-9,18H,1-3,10H2
InChIKeyCWYMOLVGQODILA-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.47
Rot. Bonds3

About [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol

[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol (PubChem CID 114865485) has the molecular formula C16H15ClOS and a molecular weight of 290.82 g/mol. Its IUPAC name is [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol
PubChem CID114865485
Molecular FormulaC16H15ClOS
Molecular Weight290.82 g/mol
Exact Mass290.05
IUPAC Name[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol
SMILESOCc1cc(Cl)ccc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C16H15ClOS/c17-14-5-7-16(13(8-14)10-18)19-15-6-4-11-2-1-3-12(11)9-15/h4-9,18H,1-3,10H2
InChIKeyCWYMOLVGQODILA-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
N-[[4-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 114864251
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63820160
[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol
CID 63812811
N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 63808332
[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114062107
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
2-amino-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3-fluorobenzoic acid
CID 83207426
2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
CID 12957639
(5-chloro-2-cyclohexylsulfanylphenyl)methanol
CID 114865544
[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 114062105
5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide
CID 61305967

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol (CID 114865485) is [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol is OCc1cc(Cl)ccc1Sc1ccc2c(c1)CCC2.
What is the InChIKey of [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol?
The InChIKey is CWYMOLVGQODILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c17-14-5-7-16(13(8-14)10-18)19-15-6-4-11-2-1-3-12(11)9-15/h4-9,18H,1-3,10H2.
What are the key properties of [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol?
[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol has a molecular weight of 290.82 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol is sourced from PubChem (CID 114865485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).